N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide

C7HBrF8N2OS — CID 15710712

IUPACN-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)(F)Br)s1)C(F)(F)F
InChIInChI=1S/C7HBrF8N2OS/c8-5(9,10)2-1(6(11,12)13)17-4(20-2)18-3(19)7(14,15)16/h(H,17,18,19)
InChIKeyCPHRWFKZGRHZHQ-UHFFFAOYSA-N
MW393.05 g/mol
LogP4.11
Rot. Bonds2

About N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide

N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 15710712) has the molecular formula C7HBrF8N2OS and a molecular weight of 393.05 g/mol. Its IUPAC name is N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
PubChem CID15710712
Molecular FormulaC7HBrF8N2OS
Molecular Weight393.05 g/mol
Exact Mass391.89
IUPAC NameN-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)(F)Br)s1)C(F)(F)F
InChIInChI=1S/C7HBrF8N2OS/c8-5(9,10)2-1(6(11,12)13)17-4(20-2)18-3(19)7(14,15)16/h(H,17,18,19)
InChIKeyCPHRWFKZGRHZHQ-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.05
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]acetamide
CID 21780306
N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710702
N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710711
N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710713
N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 21801150
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3567599
N-(4,5-dimethylthiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5224505
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 103515721
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732943
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108095245
3-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 82108937
CID 132546438
CID 132546438

Frequently Asked Questions

What is the IUPAC name of N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (CID 15710712) is N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nc(C(F)(F)F)c(C(F)(F)Br)s1)C(F)(F)F.
What is the InChIKey of N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is CPHRWFKZGRHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF8N2OS/c8-5(9,10)2-1(6(11,12)13)17-4(20-2)18-3(19)7(14,15)16/h(H,17,18,19).
What are the key properties of N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 393.05 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).